4-[(3-amino-4-methylpentyl)-methylsulfamoyl]-N,N-diethylbenzamide

C18H31N3O3S — CID 119992307

IUPAC4-[(3-amino-4-methylpentyl)-methylsulfamoyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(S(=O)(=O)N(C)CCC(N)C(C)C)cc1
InChIInChI=1S/C18H31N3O3S/c1-6-21(7-2)18(22)15-8-10-16(11-9-15)25(23,24)20(5)13-12-17(19)14(3)4/h8-11,14,17H,6-7,12-13,19H2,1-5H3
InChIKeyGBXXZFHETBTCQS-UHFFFAOYSA-N
MW369.53 g/mol
LogP2.16
Rot. Bonds9

About 4-[(3-amino-4-methylpentyl)-methylsulfamoyl]-N,N-diethylbenzamide

4-[(3-amino-4-methylpentyl)-methylsulfamoyl]-N,N-diethylbenzamide (PubChem CID 119992307) has the molecular formula C18H31N3O3S and a molecular weight of 369.53 g/mol. Its IUPAC name is 4-[(3-amino-4-methylpentyl)-methylsulfamoyl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[(3-amino-4-methylpentyl)-methylsulfamoyl]-N,N-diethylbenzamide
PubChem CID119992307
Molecular FormulaC18H31N3O3S
Molecular Weight369.53 g/mol
Exact Mass369.21
IUPAC Name4-[(3-amino-4-methylpentyl)-methylsulfamoyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(S(=O)(=O)N(C)CCC(N)C(C)C)cc1
InChIInChI=1S/C18H31N3O3S/c1-6-21(7-2)18(22)15-8-10-16(11-9-15)25(23,24)20(5)13-12-17(19)14(3)4/h8-11,14,17H,6-7,12-13,19H2,1-5H3
InChIKeyGBXXZFHETBTCQS-UHFFFAOYSA-N
XLogP2.16
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(3-amino-4-methylpentyl)-methylsulfamoyl]benzoate;hydrochloride
CID 119992233
N-(3-amino-4-methylpentyl)-4-iodo-N-methylbenzenesulfonamide
CID 115317712
N-(3-amino-4-methylpentyl)-N,4-dimethylbenzenesulfonamide;hydrochloride
CID 119991959
N-(3-amino-4-methylpentyl)-4-bromo-N-methylbenzenesulfonamide;hydrochloride
CID 119992344
N-(3-amino-4-methylpentyl)-4-(2-ethoxyethoxy)-N-methylbenzenesulfonamide;hydrochloride
CID 119992308
N-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethylbenzenesulfonamide
CID 119992136
N-(3-amino-4-methylpentyl)-4-cyano-N,3-dimethylbenzenesulfonamide
CID 106920625
N-(3-amino-4-methylpentyl)-4-(2-amino-2-oxoethyl)sulfonyl-N-methylbenzamide;hydrochloride
CID 119658844
N-[5-[(3-amino-4-methylpentyl)-methylsulfamoyl]-2-fluorophenyl]acetamide
CID 119992394
N-(3-amino-4-methylpentyl)-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide;hydrochloride
CID 119658419
N-(3-amino-4-methylpentyl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide
CID 119992402
4-[methyl(3-methylbutyl)sulfamoyl]benzenecarbothioamide
CID 61429361

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-4-methylpentyl)-methylsulfamoyl]-N,N-diethylbenzamide?
The IUPAC name of 4-[(3-amino-4-methylpentyl)-methylsulfamoyl]-N,N-diethylbenzamide (CID 119992307) is 4-[(3-amino-4-methylpentyl)-methylsulfamoyl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[(3-amino-4-methylpentyl)-methylsulfamoyl]-N,N-diethylbenzamide?
The canonical SMILES for 4-[(3-amino-4-methylpentyl)-methylsulfamoyl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(S(=O)(=O)N(C)CCC(N)C(C)C)cc1.
What is the InChIKey of 4-[(3-amino-4-methylpentyl)-methylsulfamoyl]-N,N-diethylbenzamide?
The InChIKey is GBXXZFHETBTCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3S/c1-6-21(7-2)18(22)15-8-10-16(11-9-15)25(23,24)20(5)13-12-17(19)14(3)4/h8-11,14,17H,6-7,12-13,19H2,1-5H3.
What are the key properties of 4-[(3-amino-4-methylpentyl)-methylsulfamoyl]-N,N-diethylbenzamide?
4-[(3-amino-4-methylpentyl)-methylsulfamoyl]-N,N-diethylbenzamide has a molecular weight of 369.53 g/mol, XLogP of 2.16, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-4-methylpentyl)-methylsulfamoyl]-N,N-diethylbenzamide is sourced from PubChem (CID 119992307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).